4-(2,7-Dihydroxy-6-methyl-2-heptanyl)-3-hydroxybenzoic acid

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Systematic / IUPAC Name: 4-(2,7-Dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid

ID: Reference7651

Other Names: Benzoic acid, 4-(1,6-dihydroxy-1,5-dimethylhexyl)-3-hydroxy-

Formula: C15H22O5

Spectral Data

4-(2,7-Dihydroxy-6-methyl-2-heptanyl)-3-hydroxybenzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/27/2018 12:55:06 PM
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Identificators

InChI InChI=1S/C15H22O5/c1-10(9-16)4-3-7-15(2,20)12-6-5-11(14(18)19)8-13(12)17/h5-6,8,10,16-17,20H,3-4,7,9H2,1-2H3,(H,18,19)
InChI Key ISHXRANDGDVGJS-UHFFFAOYSA-N
Canonical SMILES CC(CCCC(C)(C1=C(C=C(C=C1)C(=O)O)O)O)CO
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Other Names Benzoic acid, 4-(1,6-dihydroxy-1,5-dimethylhexyl)-3-hydroxy-

In Other Databases

ChemSpider 22369712
PubChem 23928030